#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q8l s SER 2 N 0.00 6.23 0.49 1.61 0.01 -1.26 -4.64 113.70 116.14 1q8l s SER 2 Ca 0.00 -0.77 -0.20 0.00 1.31 0.00 0.00 55.95 56.29 1q8l s SER 2 Cb 0.00 -2.52 -0.08 0.00 0.21 0.00 0.00 66.02 63.63 1q8l s SER 2 CO 0.00 -1.67 1.06 0.00 0.41 0.00 0.00 173.24 173.03 1q8l s MET 3 N 5.13 3.73 0.00 12.44 0.00 -1.26 -4.87 119.30 134.46 1q8l s MET 3 Ca 0.33 1.42 0.00 0.00 0.00 0.00 0.00 55.69 57.44 1q8l s MET 3 Cb -0.09 -2.10 0.00 0.00 0.00 0.00 0.00 34.83 32.64 1q8l s MET 3 CO 0.10 -0.50 0.00 0.00 0.00 0.00 0.00 175.02 174.62 1q8l n ALA 4 N -0.99 0.01 0.00 3.16 0.00 -1.26 -4.96 120.51 116.48 1q8l n ALA 4 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1q8l n ALA 4 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 1q8l n ALA 4 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1q8l n GLN 5 N -2.28 2.60 -2.07 0.00 6.02 -1.26 -5.06 117.38 115.33 1q8l n GLN 5 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.57 1q8l n GLN 5 Cb 0.00 -0.59 -0.03 0.00 1.02 0.00 0.00 30.24 30.64 1q8l n GLN 5 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1q8l s ALA 6 N -0.82 3.63 0.85 -1.58 0.00 -1.26 -4.98 121.76 117.59 1q8l s ALA 6 Ca 0.00 0.94 -0.10 0.00 0.00 0.00 0.00 51.96 52.79 1q8l s ALA 6 Cb 0.00 -3.70 0.10 0.00 0.00 0.00 0.00 23.12 19.53 1q8l s ALA 6 CO 0.00 -1.22 1.11 0.20 0.00 0.00 0.00 175.76 175.85 1q8l s GLY 7 N 2.76 1.67 0.29 0.00 0.00 -1.26 -4.93 107.32 105.85 1q8l s GLY 7 Ca 0.70 0.35 0.02 0.00 0.00 0.00 0.00 44.72 45.79 1q8l s GLY 7 CO 0.28 0.75 0.28 -1.83 0.00 0.00 0.00 173.10 172.58 1q8l s GLU 8 N -4.80 1.60 -0.15 2.90 -1.05 -1.26 -4.21 118.70 111.73 1q8l s GLU 8 Ca 0.64 -1.80 -0.03 0.00 -0.15 0.00 0.00 54.97 53.63 1q8l s GLU 8 Cb -0.20 0.34 0.05 0.00 -0.44 0.00 0.00 34.13 33.88 1q8l s GLU 8 CO 0.57 -0.59 0.03 0.14 0.95 0.00 0.00 175.26 176.36 1q8l s VAL 9 N -3.63 0.40 -0.97 1.83 -7.23 0.61 -4.87 120.40 106.54 1q8l s VAL 9 Ca 0.37 -0.27 -0.04 0.00 -1.81 0.00 0.00 61.98 60.23 1q8l s VAL 9 Cb 0.03 -0.80 0.12 0.00 0.56 0.00 0.00 36.38 36.29 1q8l s VAL 9 CO 0.20 -0.04 2.49 1.33 -0.31 0.00 0.00 175.10 178.76 1q8l n VAL 10 N 5.11 4.56 -2.03 1.32 0.24 -1.26 -2.68 118.33 123.59 1q8l n VAL 10 Ca -0.08 -3.94 -0.33 0.00 -2.04 0.00 0.00 64.34 57.94 1q8l n VAL 10 Cb 0.48 -1.84 0.02 0.00 -1.47 0.00 0.00 33.84 31.03 1q8l n VAL 10 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1q8l s LEU 11 N -2.34 3.54 -0.02 1.34 1.43 -1.25 -4.99 118.68 116.39 1q8l s LEU 11 Ca 0.55 1.97 0.07 0.00 -1.03 0.00 0.00 54.13 55.69 1q8l s LEU 11 Cb 0.26 -4.55 -0.02 0.00 0.03 0.00 0.00 46.19 41.91 1q8l s LEU 11 CO -0.15 -1.31 -0.22 -1.59 0.23 0.00 0.00 176.35 173.31 1q8l s LYS 12 N -3.84 2.19 -0.01 1.70 0.00 -1.26 -3.81 119.74 114.71 1q8l s LYS 12 Ca 0.67 -0.88 0.02 0.00 0.00 0.00 0.00 55.97 55.78 1q8l s LYS 12 Cb -0.19 -2.15 -0.00 0.00 0.00 0.00 0.00 37.83 35.49 1q8l s LYS 12 CO 0.35 0.57 -0.06 -1.64 0.00 0.00 0.00 175.35 174.57 1q8l s MET 13 N -0.79 0.58 -0.48 1.78 -1.94 0.57 -3.95 119.30 115.06 1q8l s MET 13 Ca 0.11 -0.22 0.03 0.00 -1.71 0.00 0.00 55.69 53.91 1q8l s MET 13 Cb -0.10 -0.57 0.13 0.00 2.01 0.00 0.00 34.83 36.30 1q8l s MET 13 CO 0.00 0.11 0.24 0.21 -0.01 0.00 0.00 175.02 175.57 1q8l s LYS 14 N -0.00 1.73 1.15 2.03 2.20 -1.24 -1.03 119.74 124.59 1q8l s LYS 14 Ca 0.00 -2.38 -0.14 0.00 -0.36 0.00 0.00 55.97 53.09 1q8l s LYS 14 Cb -0.04 -3.01 0.27 0.00 -1.51 0.00 0.00 37.83 33.53 1q8l s LYS 14 CO -0.00 -1.11 1.04 0.08 -0.36 0.00 0.00 175.35 175.00 1q8l s VAL 15 N -0.01 1.93 -0.31 4.02 1.01 -0.22 -0.80 120.40 126.02 1q8l s VAL 15 Ca 0.17 0.00 -0.00 0.00 0.00 0.00 0.00 61.98 62.15 1q8l s VAL 15 Cb -0.25 -2.21 0.07 0.00 0.00 0.00 0.00 36.38 33.98 1q8l s VAL 15 CO -0.01 0.00 0.00 -0.70 0.00 0.00 0.00 175.10 174.40 1q8l s GLU 16 N -4.70 2.23 0.00 2.72 2.12 0.15 -4.43 118.70 116.79 1q8l s GLU 16 Ca 0.68 -1.42 0.00 0.00 0.36 0.00 0.00 54.97 54.59 1q8l s GLU 16 Cb -0.22 -3.16 0.00 0.00 0.26 0.00 0.00 34.13 31.02 1q8l s GLU 16 CO 0.62 -0.70 0.44 0.41 -0.54 0.00 0.00 175.26 175.49 1q8l n GLY 17 N 4.53 -0.00 5.00 -1.50 0.00 -1.24 -4.30 105.19 107.68 1q8l n GLY 17 Ca -0.10 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1q8l n GLY 17 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1q8l n MET 18 N -0.93 0.00 0.00 1.61 1.56 -1.26 -0.81 117.12 117.29 1q8l n MET 18 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.43 1q8l n MET 18 Cb 0.00 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.37 1q8l n MET 18 CO 0.00 0.00 0.00 -2.37 -0.73 0.00 0.00 175.97 172.87 1q8l n THR 19 N 0.00 0.00 -1.49 1.12 5.66 -1.26 -4.97 114.28 113.34 1q8l n THR 19 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1q8l n THR 19 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1q8l n THR 19 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1q8l n HIS 21 N 0.00 -2.03 0.01 0.00 -0.00 0.01 -5.09 115.22 108.12 1q8l n HIS 21 Ca 0.00 1.11 0.00 0.00 -0.00 0.00 0.00 57.72 58.83 1q8l n HIS 21 Cb 0.25 -1.92 0.00 0.00 -0.00 0.00 0.00 29.99 28.32 1q8l n HIS 21 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1q8l n SER 22 N -2.43 -0.16 0.00 0.41 2.88 -1.26 -4.92 113.62 108.14 1q8l n SER 22 Ca -0.02 0.04 0.11 0.00 -1.33 0.00 0.00 58.87 57.68 1q8l n SER 22 Cb 0.27 0.52 0.68 0.00 -0.75 0.00 0.00 64.21 64.93 1q8l n SER 22 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1q8l n THR 24 N -0.97 1.74 -0.17 0.00 -2.24 -1.26 -2.38 114.28 109.01 1q8l n THR 24 Ca 0.17 0.47 0.10 0.00 -2.27 0.00 0.00 64.05 62.52 1q8l n THR 24 Cb 0.08 -1.43 0.41 0.00 -2.10 0.00 0.00 70.33 67.29 1q8l n THR 24 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1q8l h SER 25 N 0.00 0.56 -0.24 3.42 0.02 -2.00 -0.68 113.55 114.63 1q8l h SER 25 Ca 0.00 0.01 -0.18 0.00 -0.84 0.00 0.00 61.79 60.78 1q8l h SER 25 Cb 0.05 -0.10 -0.00 0.00 0.14 0.00 0.00 62.40 62.48 1q8l h SER 25 CO 0.00 0.34 -0.55 0.71 -1.14 0.00 0.00 176.83 176.19 1q8l h THR 26 N 0.62 1.28 -0.31 -2.27 1.35 -1.81 -3.09 112.91 108.68 1q8l h THR 26 Ca 0.33 -1.74 0.09 0.00 -0.55 0.00 0.00 66.41 64.54 1q8l h THR 26 Cb 0.46 1.64 -0.01 0.00 -1.73 0.00 0.00 68.15 68.51 1q8l h THR 26 CO -0.11 0.56 0.22 0.40 -0.25 0.00 0.00 175.52 176.34 1q8l h ILE 27 N 0.64 0.85 0.37 6.82 2.04 -1.29 -0.52 117.51 126.42 1q8l h ILE 27 Ca 0.01 -0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.86 1q8l h ILE 27 Cb 1.15 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 38.06 1q8l h ILE 27 CO 0.12 0.00 -0.31 -0.08 0.00 0.00 0.00 178.15 177.88 1q8l h GLU 28 N 0.01 -0.63 0.00 2.37 4.81 -1.40 -1.43 114.58 118.31 1q8l h GLU 28 Ca 0.14 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.42 1q8l h GLU 28 Cb 0.56 0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.09 1q8l h GLU 28 CO -0.00 -0.42 0.00 0.41 -0.73 0.00 0.00 179.01 178.26 1q8l n GLY 29 N -1.36 -1.18 0.09 1.92 0.00 -1.05 -2.19 105.19 101.42 1q8l n GLY 29 Ca -0.08 -0.08 -0.07 0.00 0.00 0.00 0.00 46.02 45.79 1q8l n GLY 29 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1q8l h LYS 30 N 0.00 -0.08 0.00 1.61 3.64 -0.69 -3.05 116.57 118.01 1q8l h LYS 30 Ca 0.00 0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.27 1q8l h LYS 30 Cb 0.33 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.15 1q8l h LYS 30 CO 0.00 0.31 -0.55 0.82 -2.27 0.00 0.00 179.45 177.76 1q8l h ILE 31 N -0.98 1.39 0.00 2.00 2.04 -1.31 -3.05 117.51 117.59 1q8l h ILE 31 Ca -0.01 -1.87 0.00 0.00 1.00 0.00 0.00 64.86 63.98 1q8l h ILE 31 Cb 0.43 2.01 0.00 0.00 -0.74 0.00 0.00 36.82 38.52 1q8l h ILE 31 CO 0.01 0.53 0.00 1.23 0.00 0.00 0.00 178.15 179.93 1q8l h GLY 32 N 1.65 0.00 -1.31 5.37 0.00 -1.57 -3.15 103.07 104.06 1q8l h GLY 32 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 1q8l h GLY 32 CO 0.07 0.00 0.00 1.17 0.00 0.00 0.00 176.54 177.78 1q8l n LYS 33 N -2.80 2.05 -2.06 4.80 3.00 -1.15 -4.92 118.16 117.07 1q8l n LYS 33 Ca 0.04 -1.52 -0.43 0.00 -0.00 0.00 0.00 58.31 56.40 1q8l n LYS 33 Cb 0.44 -1.47 -0.03 0.00 0.00 0.00 0.00 35.03 33.98 1q8l n LYS 33 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1q8l s LEU 34 N -1.97 3.85 0.25 3.14 1.43 -1.19 -4.97 118.68 119.22 1q8l s LEU 34 Ca 0.33 1.64 -0.30 0.00 -1.03 0.00 0.00 54.13 54.77 1q8l s LEU 34 Cb 0.20 -3.53 -0.09 0.00 0.03 0.00 0.00 46.19 42.80 1q8l s LEU 34 CO 0.31 -1.33 1.13 -1.10 0.23 0.00 0.00 176.35 175.60 1q8l s GLN 35 N 4.85 4.58 0.00 1.70 -0.21 -1.26 -3.31 119.66 126.01 1q8l s GLN 35 Ca 0.74 1.84 0.00 0.00 0.02 0.00 0.00 55.36 57.96 1q8l s GLN 35 Cb -0.26 -3.20 0.00 0.00 1.00 0.00 0.00 33.01 30.55 1q8l s GLN 35 CO 0.31 0.10 0.00 0.41 -2.12 0.00 0.00 175.29 173.99 1q8l n GLY 36 N 1.47 0.52 3.84 3.09 0.00 -1.26 -4.35 105.19 108.51 1q8l n GLY 36 Ca 0.01 -0.36 -0.36 0.00 0.00 0.00 0.00 46.02 45.31 1q8l n GLY 36 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1q8l s VAL 37 N -2.00 4.92 0.00 1.61 1.01 -1.21 -1.21 120.40 123.52 1q8l s VAL 37 Ca 0.00 0.79 0.00 0.00 0.00 0.00 0.00 61.98 62.77 1q8l s VAL 37 Cb 0.00 -3.73 0.00 0.00 0.00 0.00 0.00 36.38 32.65 1q8l s VAL 37 CO 0.00 0.34 0.00 0.00 0.00 0.00 0.00 175.10 175.44 1q8l n GLN 38 N 1.08 0.00 -3.42 2.72 1.13 -0.16 -3.91 117.38 114.82 1q8l n GLN 38 Ca -0.08 0.00 -0.20 0.00 -1.94 0.00 0.00 57.00 54.78 1q8l n GLN 38 Cb 0.52 -0.07 -0.00 0.00 0.11 0.00 0.00 30.24 30.80 1q8l n GLN 38 CO 0.00 0.00 0.00 0.50 -1.44 0.00 0.00 177.06 176.12 1q8l s ARG 39 N 0.00 3.15 -0.11 -1.09 6.06 -0.94 -4.69 118.95 121.32 1q8l s ARG 39 Ca 0.00 -0.87 -0.05 0.00 -2.50 0.00 0.00 55.73 52.31 1q8l s ARG 39 Cb 0.00 -2.77 0.05 0.00 0.06 0.00 0.00 34.95 32.29 1q8l s ARG 39 CO 0.00 0.03 0.23 -1.50 -2.50 0.00 0.00 175.30 171.57 1q8l s ILE 40 N -2.23 -0.23 -0.44 4.11 2.07 -1.26 -1.47 121.20 121.75 1q8l s ILE 40 Ca 0.44 0.24 0.05 0.00 -1.41 0.00 0.00 60.65 59.97 1q8l s ILE 40 Cb -0.10 -0.39 0.19 0.00 0.13 0.00 0.00 42.46 42.30 1q8l s ILE 40 CO 0.32 0.10 0.49 2.29 -1.91 0.00 0.00 174.94 176.23 1q8l n LYS 41 N 4.86 0.38 -2.86 3.50 2.85 -1.26 -4.99 118.16 120.64 1q8l n LYS 41 Ca -0.14 -2.82 -0.41 0.00 -1.05 0.00 0.00 58.31 53.89 1q8l n LYS 41 Cb 0.51 -1.55 -0.04 0.00 -0.65 0.00 0.00 35.03 33.31 1q8l n LYS 41 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 1q8l s VAL 42 N 0.12 4.91 0.79 0.58 1.01 -1.26 -2.84 120.40 123.72 1q8l s VAL 42 Ca 0.32 1.80 -0.09 0.00 0.00 0.00 0.00 61.98 64.01 1q8l s VAL 42 Cb 0.06 -4.20 0.18 0.00 0.00 0.00 0.00 36.38 32.42 1q8l s VAL 42 CO -0.15 0.22 1.08 -0.24 0.00 0.00 0.00 175.10 176.00 1q8l n SER 43 N 3.74 0.50 -4.23 3.32 2.88 -0.75 -4.91 113.62 114.16 1q8l n SER 43 Ca 0.03 -1.65 -0.15 0.00 -1.33 0.00 0.00 58.87 55.77 1q8l n SER 43 Cb 0.51 -0.79 0.05 0.00 -0.75 0.00 0.00 64.21 63.23 1q8l n SER 43 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1q8l n LEU 44 N 0.00 0.00 0.00 2.46 7.99 -1.26 -3.99 117.00 122.20 1q8l n LEU 44 Ca 0.15 -1.93 0.00 0.00 -0.01 0.00 0.00 56.01 54.22 1q8l n LEU 44 Cb 0.52 -0.30 0.00 0.00 -0.11 0.00 0.00 43.42 43.53 1q8l n LEU 44 CO 0.37 -0.65 0.00 -0.67 -1.51 0.00 0.00 177.39 174.93 1q8l n ASP 45 N -2.44 0.00 -0.43 -1.43 2.03 -1.26 -1.59 116.55 111.43 1q8l n ASP 45 Ca 0.11 0.00 0.03 0.00 0.52 0.00 0.00 54.79 55.45 1q8l n ASP 45 Cb 0.46 0.00 0.08 0.00 -0.72 0.00 0.00 41.12 40.94 1q8l n ASP 45 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1q8l n ASN 46 N 1.70 1.19 -4.13 1.67 3.02 -1.26 -3.62 115.26 113.83 1q8l n ASN 46 Ca 0.00 -2.04 -0.29 0.00 -0.03 0.00 0.00 54.58 52.21 1q8l n ASN 46 Cb 0.00 -0.20 -0.08 0.00 -0.61 0.00 0.00 39.78 38.89 1q8l n ASN 46 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 1q8l n GLN 47 N 0.05 -0.89 -1.94 3.52 7.27 -0.62 -1.05 117.38 123.73 1q8l n GLN 47 Ca 0.06 0.07 -0.24 0.00 0.07 0.00 0.00 57.00 56.97 1q8l n GLN 47 Cb 0.21 -3.11 -0.06 0.00 2.41 0.00 0.00 30.24 29.69 1q8l n GLN 47 CO 0.00 0.00 0.00 -2.00 0.07 0.00 0.00 177.06 175.13 1q8l s GLU 48 N -6.97 2.33 -0.11 3.69 2.12 -1.26 -3.73 118.70 114.77 1q8l s GLU 48 Ca 0.04 -0.12 -0.30 0.00 0.36 0.00 0.00 54.97 54.96 1q8l s GLU 48 Cb -0.02 -5.00 -0.01 0.00 0.26 0.00 0.00 34.13 29.35 1q8l s GLU 48 CO 0.90 -3.64 1.06 0.00 -0.54 0.00 0.00 175.26 173.04 1q8l s ALA 49 N 11.20 3.46 -0.46 6.30 0.00 -0.20 -1.82 121.76 140.25 1q8l s ALA 49 Ca 0.75 0.40 0.09 0.00 0.00 0.00 0.00 51.96 53.21 1q8l s ALA 49 Cb -0.08 -3.47 0.36 0.00 0.00 0.00 0.00 23.12 19.93 1q8l s ALA 49 CO 0.01 -0.70 0.88 2.41 0.00 0.00 0.00 175.76 178.36 1q8l n THR 50 N 4.67 1.54 -2.11 0.00 -1.04 -1.13 -0.32 114.28 115.88 1q8l n THR 50 Ca 0.10 -4.88 -0.40 0.00 -2.04 0.00 0.00 64.05 56.82 1q8l n THR 50 Cb 0.48 -0.74 -0.02 0.00 -1.82 0.00 0.00 70.33 68.23 1q8l n THR 50 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1q8l s ILE 51 N -3.65 2.73 -0.12 12.58 1.09 -1.25 -4.27 121.20 128.31 1q8l s ILE 51 Ca 0.43 0.71 -0.04 0.00 -1.10 0.00 0.00 60.65 60.65 1q8l s ILE 51 Cb 0.34 -3.44 -0.03 0.00 -1.06 0.00 0.00 42.46 38.26 1q8l s ILE 51 CO -0.10 0.15 0.02 -0.69 -0.10 0.00 0.00 174.94 174.21 1q8l s VAL 52 N -1.18 4.43 0.24 2.92 1.01 -0.54 -3.92 120.40 123.35 1q8l s VAL 52 Ca 0.51 -0.19 -0.19 0.00 0.00 0.00 0.00 61.98 62.12 1q8l s VAL 52 Cb -0.39 -2.91 0.02 0.00 0.00 0.00 0.00 36.38 33.10 1q8l s VAL 52 CO 0.51 0.56 0.61 -0.72 0.00 0.00 0.00 175.10 176.06 1q8l s TYR 53 N -0.41 -0.08 -0.09 5.22 1.13 -1.09 -0.99 117.35 121.04 1q8l s TYR 53 Ca 0.08 -0.31 -0.26 0.00 -1.41 0.00 0.00 57.07 55.18 1q8l s TYR 53 Cb -0.12 0.51 -0.03 0.00 -1.10 0.00 0.00 41.96 41.22 1q8l s TYR 53 CO 0.02 -1.08 0.82 -0.65 -2.51 0.00 0.00 175.55 172.15 1q8l s GLN 54 N -3.92 4.41 0.02 -3.49 -0.21 -0.35 -0.28 119.66 115.85 1q8l s GLN 54 Ca 0.12 1.07 -0.16 0.00 0.02 0.00 0.00 55.36 56.41 1q8l s GLN 54 Cb -0.03 -3.50 -0.09 0.00 1.00 0.00 0.00 33.01 30.39 1q8l s GLN 54 CO 0.03 -0.11 1.18 -1.00 -2.12 0.00 0.00 175.29 173.27 1q8l h PRO 55 N 6.98 -0.56 0.00 2.91 0.13 -1.84 -2.70 132.00 136.93 1q8l h PRO 55 Ca -0.36 0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 1q8l h PRO 55 Cb 1.18 0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1q8l h PRO 55 CO 0.79 -0.37 0.00 -2.39 -0.23 0.00 0.00 178.00 175.79 1q8l n HIS 56 N -3.65 0.00 -0.03 1.56 1.44 -1.26 -3.10 115.22 110.18 1q8l n HIS 56 Ca -0.07 0.00 -0.15 0.00 -2.01 0.00 0.00 57.72 55.49 1q8l n HIS 56 Cb 0.23 -0.05 -0.11 0.00 0.12 0.00 0.00 29.99 30.18 1q8l n HIS 56 CO 0.00 0.00 0.00 -0.07 -2.81 0.00 0.00 176.34 173.46 1q8l h LEU 57 N 0.00 0.17 -7.53 2.39 -0.00 -1.82 -3.48 115.31 105.04 1q8l h LEU 57 Ca 0.00 -0.78 0.16 0.00 -0.00 0.00 0.00 57.88 57.26 1q8l h LEU 57 Cb 0.02 -0.05 -0.09 0.00 -0.00 0.00 0.00 40.66 40.54 1q8l h LEU 57 CO 0.00 0.93 0.47 -0.51 -0.00 0.00 0.00 178.44 179.32 1q8l s ILE 58 N -3.12 0.00 -0.18 1.22 2.07 -1.18 -4.93 121.20 115.09 1q8l s ILE 58 Ca -0.16 -0.53 0.00 0.00 -1.41 0.00 0.00 60.65 58.55 1q8l s ILE 58 Cb 0.00 -1.77 0.04 0.00 0.13 0.00 0.00 42.46 40.86 1q8l s ILE 58 CO 0.73 0.00 -0.10 -0.44 -1.91 0.00 0.00 174.94 173.21 1q8l s SER 59 N -2.85 3.08 0.46 4.50 0.01 -1.26 -4.69 113.70 112.95 1q8l s SER 59 Ca 0.10 -0.73 0.31 0.00 1.31 0.00 0.00 55.95 56.95 1q8l s SER 59 Cb -0.01 -1.16 1.38 0.00 0.21 0.00 0.00 66.02 66.44 1q8l s SER 59 CO -0.00 -0.13 1.93 0.58 0.41 0.00 0.00 173.24 176.03 1q8l h VAL 60 N 6.29 0.00 -0.18 3.43 2.07 -1.96 -1.54 116.25 124.36 1q8l h VAL 60 Ca -0.30 -0.31 -0.13 0.00 0.82 0.00 0.00 66.70 66.77 1q8l h VAL 60 Cb 1.11 1.19 -0.01 0.00 -1.52 0.00 0.00 31.29 32.06 1q8l h VAL 60 CO 0.48 0.00 -0.45 -0.08 0.02 0.00 0.00 177.57 177.54 1q8l h GLU 61 N 0.00 0.45 -0.42 1.57 4.81 -1.98 0.50 114.58 119.50 1q8l h GLU 61 Ca 0.00 -0.24 -0.11 0.00 -0.13 0.00 0.00 59.36 58.87 1q8l h GLU 61 Cb 0.35 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.73 1q8l h GLU 61 CO 0.00 0.81 -0.18 1.49 -0.73 0.00 0.00 179.01 180.40 1q8l h GLU 62 N 0.37 0.87 -0.36 1.92 4.81 -1.71 -2.32 114.58 118.15 1q8l h GLU 62 Ca 0.03 -0.37 -0.06 0.00 -0.13 0.00 0.00 59.36 58.83 1q8l h GLU 62 Cb 0.93 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.26 1q8l h GLU 62 CO 0.08 1.01 -0.01 0.52 -0.73 0.00 0.00 179.01 179.88 1q8l h MET 63 N 0.69 0.57 0.00 1.92 2.86 -1.29 -1.93 114.93 117.75 1q8l h MET 63 Ca 0.10 -0.13 -0.06 0.00 -2.06 0.00 0.00 59.70 57.55 1q8l h MET 63 Cb 0.74 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.31 1q8l h MET 63 CO 0.06 0.60 -0.28 0.87 1.06 0.00 0.00 176.91 179.23 1q8l h LYS 64 N 0.55 0.00 -0.47 1.72 1.79 -0.41 -2.17 116.57 117.58 1q8l h LYS 64 Ca 0.11 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.54 1q8l h LYS 64 Cb 0.36 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.99 1q8l h LYS 64 CO 0.01 0.28 0.12 -0.22 -1.08 0.00 0.00 179.45 178.55 1q8l h LYS 65 N 0.00 0.71 -0.35 3.15 1.63 -0.83 0.18 116.57 121.06 1q8l h LYS 65 Ca -0.00 -0.13 -0.15 0.00 -0.85 0.00 0.00 60.65 59.52 1q8l h LYS 65 Cb 0.54 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 32.05 1q8l h LYS 65 CO 0.04 0.64 -0.38 1.96 -3.45 0.00 0.00 179.45 178.26 1q8l h GLN 66 N 0.69 0.82 -0.20 1.90 1.08 -1.42 0.23 115.11 118.21 1q8l h GLN 66 Ca 0.16 -0.42 -0.07 0.00 -1.45 0.00 0.00 58.65 56.86 1q8l h GLN 66 Cb 0.25 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.68 1q8l h GLN 66 CO -0.00 1.06 -0.19 0.82 -0.95 0.00 0.00 178.83 179.56 1q8l h ILE 67 N 0.68 1.23 0.00 2.54 2.04 -0.91 -1.21 117.51 121.88 1q8l h ILE 67 Ca 0.06 -1.05 -0.04 0.00 1.00 0.00 0.00 64.86 64.83 1q8l h ILE 67 Cb 0.94 1.30 -0.01 0.00 -0.74 0.00 0.00 36.82 38.31 1q8l h ILE 67 CO 0.09 0.33 -0.43 -0.33 0.00 0.00 0.00 178.15 177.81 1q8l h GLU 68 N 0.31 0.00 0.13 2.37 5.08 -0.28 0.77 114.58 122.96 1q8l h GLU 68 Ca 0.06 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.13 1q8l h GLU 68 Cb 0.53 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.79 1q8l h GLU 68 CO 0.03 0.14 -1.24 0.00 -1.00 0.00 0.00 179.01 176.94 1q8l h ALA 69 N 1.84 0.06 0.00 3.43 0.00 0.21 -3.22 119.26 121.59 1q8l h ALA 69 Ca -0.01 -0.82 0.00 0.00 0.00 0.00 0.00 54.91 54.08 1q8l h ALA 69 Cb 1.14 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1q8l h ALA 69 CO 0.02 0.81 0.00 0.00 0.00 0.00 0.00 179.25 180.07 1q8l n MET 70 N -3.68 0.10 0.00 0.00 0.00 -0.53 -4.87 117.12 108.13 1q8l n MET 70 Ca -0.11 0.17 0.00 0.00 0.00 0.00 0.00 57.70 57.76 1q8l n MET 70 Cb 1.00 -1.64 0.00 0.00 0.00 0.00 0.00 33.22 32.58 1q8l n MET 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1q8l n GLY 71 N 0.91 1.31 2.74 3.17 0.00 -1.20 -5.05 105.19 107.07 1q8l n GLY 71 Ca 0.05 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.79 1q8l n GLY 71 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1q8l n PHE 72 N 0.00 2.03 -1.55 1.61 3.01 0.26 -4.61 117.46 118.20 1q8l n PHE 72 Ca 0.00 -4.02 -0.48 0.00 1.01 0.00 0.00 57.45 53.97 1q8l n PHE 72 Cb 0.00 -0.36 -0.03 0.00 -0.01 0.00 0.00 39.48 39.07 1q8l n PHE 72 CO 0.00 0.00 0.00 -2.30 1.01 0.00 0.00 176.76 175.47 1q8l n PRO 73 N 2.18 1.01 -4.17 -1.08 -0.02 -1.26 -3.34 135.00 128.33 1q8l n PRO 73 Ca 0.23 0.36 -0.29 0.00 -2.02 0.00 0.00 63.50 61.77 1q8l n PRO 73 Cb 0.39 -1.75 -0.17 0.00 -0.02 0.00 0.00 33.50 31.96 1q8l n PRO 73 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1q8l s ALA 74 N -0.57 1.79 -1.40 3.55 0.00 -1.26 0.34 121.76 124.21 1q8l s ALA 74 Ca 0.68 -0.84 -0.11 0.00 0.00 0.00 0.00 51.96 51.69 1q8l s ALA 74 Cb -0.83 -0.98 0.08 0.00 0.00 0.00 0.00 23.12 21.39 1q8l s ALA 74 CO 0.55 -0.28 2.19 1.19 0.00 0.00 0.00 175.76 179.42 1q8l n PHE 75 N 4.58 3.09 -1.71 0.00 3.72 0.02 -4.86 117.46 122.31 1q8l n PHE 75 Ca -0.17 -2.90 -0.30 0.00 -0.05 0.00 0.00 57.45 54.02 1q8l n PHE 75 Cb 0.50 -2.25 0.06 0.00 -0.94 0.00 0.00 39.48 36.85 1q8l n PHE 75 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 1q8l s VAL 76 N 1.62 3.62 0.56 -4.37 1.01 -1.26 -3.62 120.40 117.95 1q8l s VAL 76 Ca 0.47 0.53 0.29 0.00 0.00 0.00 0.00 61.98 63.26 1q8l s VAL 76 Cb 0.13 -3.38 0.41 0.00 0.00 0.00 0.00 36.38 33.54 1q8l s VAL 76 CO -0.05 -0.69 1.94 0.50 0.00 0.00 0.00 175.10 176.80 1q8l h LYS 77 N -0.77 0.00 0.00 2.72 3.64 -1.94 -3.48 116.57 116.75 1q8l h LYS 77 Ca -0.45 0.00 0.24 0.00 -1.27 0.00 0.00 60.65 59.17 1q8l h LYS 77 Cb 1.24 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 33.00 1q8l h LYS 77 CO 0.61 0.00 -0.32 1.63 -2.27 0.00 0.00 179.45 179.10 1q8l n LYS 78 N -4.05 -1.78 -3.41 1.90 4.76 -1.26 -4.96 118.16 109.37 1q8l n LYS 78 Ca 0.11 1.17 -0.18 0.00 -2.87 0.00 0.00 58.31 56.54 1q8l n LYS 78 Cb 0.71 -2.17 0.04 0.00 -1.84 0.00 0.00 35.03 31.77 1q8l n LYS 78 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1q8l n GLN 79 N -3.18 -1.59 -1.00 1.97 1.13 -1.26 -4.95 117.38 108.50 1q8l n GLN 79 Ca 0.01 0.87 -0.30 0.00 -1.94 0.00 0.00 57.00 55.63 1q8l n GLN 79 Cb 0.40 -4.89 0.15 0.00 0.11 0.00 0.00 30.24 26.01 1q8l n GLN 79 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 1q8l s PRO 80 N -4.66 1.21 0.46 -1.09 0.04 -1.26 -4.86 135.00 124.84 1q8l s PRO 80 Ca 0.31 1.12 0.00 0.00 0.04 0.00 0.00 61.00 62.47 1q8l s PRO 80 Cb -0.08 -1.78 0.00 0.00 0.04 0.00 0.00 34.50 32.68 1q8l s PRO 80 CO 0.80 -2.36 0.00 1.17 0.04 0.00 0.00 177.00 176.65 1q8l n LYS 81 N -4.00 -3.11 -3.67 4.56 4.81 -1.26 -5.03 118.16 110.46 1q8l n LYS 81 Ca 0.08 2.43 -0.12 0.00 -0.87 0.00 0.00 58.31 59.84 1q8l n LYS 81 Cb 0.54 -3.08 -0.12 0.00 0.02 0.00 0.00 35.03 32.38 1q8l n LYS 81 CO 0.00 0.00 0.00 1.52 1.17 0.00 0.00 177.40 180.09 1q8l s TYR 82 N -4.97 -0.53 0.00 5.64 1.13 -1.26 -5.04 117.35 112.32 1q8l s TYR 82 Ca 0.00 1.13 0.00 0.00 -1.41 0.00 0.00 57.07 56.79 1q8l s TYR 82 Cb 0.00 0.07 0.00 0.00 -1.10 0.00 0.00 41.96 40.93 1q8l s TYR 82 CO 0.00 -0.38 0.00 1.28 -2.51 0.00 0.00 175.55 173.94 1q8l n LEU 83 N 5.26 0.00 0.00 -3.49 7.99 -1.26 -5.33 117.00 120.16 1q8l n LEU 83 Ca -0.09 0.00 0.06 0.00 -0.01 0.00 0.00 56.01 55.97 1q8l n LEU 83 Cb 0.50 0.00 0.34 0.00 -0.11 0.00 0.00 43.42 44.15 1q8l n LEU 83 CO 0.03 0.00 0.56 0.29 -1.51 0.00 0.00 177.39 176.76